Basis sets for gold clusters
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Jian Lv
May 14, 2012, 3:51:53 AM5/14/12
to cp2k
Dear all,
I'm new to cp2k. I want to do structural optimization for gold clusters
using cp2k.
Could anyone tell me which basis set is suitable?
Thank you for your any help!
Best Regards
Jian Lv
*************************************************************
Jian Lv (吕健) grad.
student
State Key Lab of Superhard Materials, Jilin University
State Key Lab of Superhard Materials, Jilin University
2699 Qianjin
Str.
130012,
Changchun
P. R. China
Email: lvjia...@163.com | Jian...@mails.jlu.edu.cn
2012-05-14
Jian Lv
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